pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.04	AttenGpKa training set	0	-1	O=C(c1ccccc1)[C@@H](c1ccccc1)[N+](=O)[O-]	O=C(c1ccccc1)[C-](c1ccccc1)[N+](=O)[O-]	mol27003	O=C(c1ccccc1)C(c1ccccc1)[N+](=O)[O-]